N-(3-morpholin-4-ylpropyl)-3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide

C25H32N2O5 — CID 4838403

IUPACN-(3-morpholin-4-ylpropyl)-3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide
SMILESCc1oc2c(C)c3oc(=O)c(CCC(=O)NCCCN4CCOCC4)c(C)c3cc2c1C
InChIInChI=1S/C25H32N2O5/c1-15-18(4)31-23-17(3)24-21(14-20(15)23)16(2)19(25(29)32-24)6-7-22(28)26-8-5-9-27-10-12-30-13-11-27/h14H,5-13H2,1-4H3,(H,26,28)
InChIKeyBBUOOQKYPVSOBN-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.54
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide

N-(3-morpholin-4-ylpropyl)-3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide (PubChem CID 4838403) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide
PubChem CID4838403
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC NameN-(3-morpholin-4-ylpropyl)-3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide
SMILESCc1oc2c(C)c3oc(=O)c(CCC(=O)NCCCN4CCOCC4)c(C)c3cc2c1C
InChIInChI=1S/C25H32N2O5/c1-15-18(4)31-23-17(3)24-21(14-20(15)23)16(2)19(25(29)32-24)6-7-22(28)26-8-5-9-27-10-12-30-13-11-27/h14H,5-13H2,1-4H3,(H,26,28)
InChIKeyBBUOOQKYPVSOBN-UHFFFAOYSA-N
XLogP3.54
TPSA84.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide (CID 4838403) is N-(3-morpholin-4-ylpropyl)-3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide is Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCCCN4CCOCC4)c(C)c3cc2c1C.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide?
The InChIKey is BBUOOQKYPVSOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-15-18(4)31-23-17(3)24-21(14-20(15)23)16(2)19(25(29)32-24)6-7-22(28)26-8-5-9-27-10-12-30-13-11-27/h14H,5-13H2,1-4H3,(H,26,28).
What are the key properties of N-(3-morpholin-4-ylpropyl)-3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide?
N-(3-morpholin-4-ylpropyl)-3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide has a molecular weight of 440.54 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide is sourced from PubChem (CID 4838403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).